4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine

C17H22N4 — CID 95845166

IUPAC4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCc1cccc(CN2CCCC[C@@H]2c2ccnc(N)n2)c1
InChIInChI=1S/C17H22N4/c1-13-5-4-6-14(11-13)12-21-10-3-2-7-16(21)15-8-9-19-17(18)20-15/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H2,18,19,20)/t16-/m1/s1
InChIKeyASNRBWKNFZZJBK-MRXNPFEDSA-N
MW282.39 g/mol
LogP3.09
Rot. Bonds3

About 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine

4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 95845166) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID95845166
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCc1cccc(CN2CCCC[C@@H]2c2ccnc(N)n2)c1
InChIInChI=1S/C17H22N4/c1-13-5-4-6-14(11-13)12-21-10-3-2-7-16(21)15-8-9-19-17(18)20-15/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H2,18,19,20)/t16-/m1/s1
InChIKeyASNRBWKNFZZJBK-MRXNPFEDSA-N
XLogP3.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244815
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124953664
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124968293
4-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244811
4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 132776569
6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 151217647
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole
CID 174724025

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 95845166) is 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine is Cc1cccc(CN2CCCC[C@@H]2c2ccnc(N)n2)c1.
What is the InChIKey of 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is ASNRBWKNFZZJBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-5-4-6-14(11-13)12-21-10-3-2-7-16(21)15-8-9-19-17(18)20-15/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H2,18,19,20)/t16-/m1/s1.
What are the key properties of 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95845166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).